Asymmetry of radiation damage properties in Al-Ti nanolayers

Wahyu Setyawan, Matthew Gerboth, Bo Yao, Charles H. Henager, Arun Devaraj, Venkata R S R Vemuri, Suntharampillai Thevuthasan, Vaithiyalingam Shutthanandan

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Molecular dynamics (MD) simulations were employed with empirical potentials to study the effects of multilayer interfaces and interface spacing in Al-Ti nanolayers. Several model interfaces derived from stacking of close-packed layers or face-centered cubic {1 0 0} layers were investigated. The simulations reveal significant and important asymmetries in defect production with ∼60% of vacancies created in Al layers compared to Ti layers within the Al-Ti multilayer system. The asymmetry in the creation of interstitials is even more pronounced. The asymmetries cause an imbalance in the ratio of vacancies and interstitials in films of dissimilar materials leading to >90% of the surviving interstitials located in the Al layers. While in the close-packed nanolayers the interstitials migrate to the atomic layers adjacent to the interface of the Al layers, in the {1 0 0} nanolayers the interstitials migrate to the center of the Al layers and away from the interfaces. The degree of asymmetry and defect ratio imbalance increases as the layer spacing decreases in the multilayer films. Underlying physical processes are discussed including the interfacial strain fields and the individual elemental layer stopping power in nanolayered systems. In addition, experimental work was performed on low-dose (1016 atoms/cm2) helium (He) irradiation on Al/Ti nanolayers (5 nm per film), resulting in He bubble formation ∼1 nm in diameter in the Ti film near the interface. The correlation between the preferential flux of displaced atoms from Ti films to Al films during the defect production that is revealed in the simulations and the morphology and location of He bubbles from the experiments is discussed.

Original languageEnglish
Pages (from-to)261-271
Number of pages11
JournalJournal of Nuclear Materials
Issue number1-3
Publication statusPublished - Feb 2014
Externally publishedYes


ASJC Scopus subject areas

  • Nuclear and High Energy Physics
  • Materials Science(all)
  • Nuclear Energy and Engineering

Cite this

Setyawan, W., Gerboth, M., Yao, B., Henager, C. H., Devaraj, A., Vemuri, V. R. S. R., Thevuthasan, S., & Shutthanandan, V. (2014). Asymmetry of radiation damage properties in Al-Ti nanolayers. Journal of Nuclear Materials, 445(1-3), 261-271.